ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(4-fluorobenzamido)alaninate
Chemical Structure Depiction of
ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(4-fluorobenzamido)alaninate
ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(4-fluorobenzamido)alaninate
Compound characteristics
Compound ID: | 8010-7329 |
Compound Name: | ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(4-fluorobenzamido)alaninate |
Molecular Weight: | 457.45 |
Molecular Formula: | C20 H19 F4 N3 O3 S |
Smiles: | CCc1c(C#N)c(NC(C(=O)OCC)(C(F)(F)F)NC(c2ccc(cc2)F)=O)sc1C |
Stereo: | RACEMIC MIXTURE |
logP: | 4.8632 |
logD: | 2.7608 |
logSw: | -4.7148 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.131 |
InChI Key: | HRUOSAABYAURNO-LJQANCHMSA-N |